omaveloxolone

Ligand id: 7573

Name: omaveloxolone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 87.03
Molecular weight 554.33
XLogP 6.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl]-2,2-difluoropropanamide
International Nonproprietary Names
INN number INN
10135 omaveloxolone
Synonyms
RTA 408 | RTA-408
Database Links
PubChem CID 71811910
Search Google for chemical match using the InChIKey RJCWBNBKOKFWNY-IDPLTSGASA-N
Search Google for chemicals with the same backbone RJCWBNBKOKFWNY
Search PubMed clinical trials omaveloxolone
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Search UniChem for chemical match using the InChIKey RJCWBNBKOKFWNY-IDPLTSGASA-N
Search UniChem for chemicals with the same backbone RJCWBNBKOKFWNY
Wikipedia RTA 408
Comments
Chemically omaveloxolone (RTA 408) is a second generation synthetic oleanane triterpenoid compound, which structurally resembles bardoxolone, and has difluoropropanamide replacing the carboxylic acid moiety.
This compound is claimed in patent WO2013163344A1. The chemical structure represented above, was drawn from this patent, but structures with alternate stereochemistry are submitted in PubChem.